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· · COA & SDS available for every product · Same-day shipping on in-stock items Neobavaisoflavone - ≥98% , CAS No.41060-15-5
Synonyms
A873151 | 7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one | Neobavaisoflavone | Oprea1_493755 | AKOS032948372 | MFCD00800660 | CHEBI:66614 | 7,4'-dihydroxy-3'-(gamma,gamma-dimethylallyl)isoflavone | 4',7-Dihydroxy-3'-(3-methyl-2-b
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
A873151 | 7-Hydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-4H-chromen-4-one | Neobavaisoflavone | Oprea1_493755 | AKOS032948372 | MFCD00800660 | CHEBI:66614 | 7, 4'-dihydroxy-3'-(gamma, gamma-dimethylallyl)isoflavone | 4', 7-Dihydroxy-3'-(3-methyl-2-b
Specifications & Purity
≥98%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504763591 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504763591 Canonical Smiles CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C IUPAC Name 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one InChIKey OBGPEBYHGIUFBN-UHFFFAOYSA-N INCHI 1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3 Isomeric SMILES CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C Molecular Weight 322.35 Reaxy-Rn 4518386 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4518386&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Isoflavonoids Subclass Isoflav-2-enes Intermediate Tree Nodes Not available Direct Parent Isoflavones Alternative Parents Hydroxyisoflavonoids Chromones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. External Descriptors Isoflavonoids Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : ≥ 31 mg/mL (96.17 mM) Sensitivity Moisture sensitive;Light sensitive;Heat sensitive Molecular Weight 322.400 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 322.121 Da Monoisotopic Mass 322.121 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 532.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Citations of This Product References 1. Jia-min Gong, Xiao-lei Yi, Jia-hong Liang, Zhen-zhong Liu, Zuo Du. (2023) Inhibitory effects of phthalate esters (PAEs) and phthalate monoesters towards human carboxylesterases (CESs). TOXICOLOGY AND APPLIED PHARMACOLOGY, [PMID:38070751 ] [10.1016/j.taap.2023.116785 ]
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